SCHEMBL9868005

SCHEMBL9868005

C=CCOc1ccc2c(c1)C(CCCC)C(O)O2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 3/20 0.36
KCNE1 P15382 1/20 0.36
KCNQ1 P51787 1/20 0.36
CA12 O43570 4/20 0.35
CA1 P00915 4/20 0.35
CA9 Q16790 4/20 0.35
GAA P10253 2/20 0.35
HPGD P15428 1/20 0.35
MAOB P27338 2/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9868008 1.00 MAPT (0.39) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL10405477 0.85 MEN1 (0.36) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL10405674 0.85 MEN1 (0.37) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL10405675 0.85 MEN1 (0.37) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL10405373 0.82 MTNR1A (0.37) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL10401628 0.81 MAPT (0.36) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL10401630 0.81 MAPT (0.36) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL10404356 0.81 MAOB (0.39) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL10404355 0.81 MAOB (0.39) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL10405357 0.73 CA12 (0.38) MEN1LMNAKMT2AALDH1A1KCNE1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3130277-A None JP disclosed
JP-H03130277-A TRANS-2,3-DISUBSTITUTED-2,3-DIHYDRO-5-HYDROXYBENZOFURANS AS LEUKOTRIENE BIOSYNTHESIS INHIBITOR MERCK & CO INC 1991-06-04 JP disclosed